General Information of the Compound
| Compound ID |
CP0505778
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-((R)-1-pyridin-2-ylmethyl-pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H30F2N4O3
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| Molecular Weight |
532.591
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H]2CCCN2Cc2ccccn2)c1=O
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| InChI |
InChI=1S/C30H30F2N4O3/c1-20-28(21-8-5-11-24(16-21)39-2)29(37)36(30(38)35(20)19-25-26(31)12-6-13-27(25)32)18-23-10-7-15-34(23)17-22-9-3-4-14-33-22/h3-6,8-9,11-14,16,23H,7,10,15,17-19H2,1-2H3/t23-/m1/s1
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| InChIKey |
BIBBCWVYCRICCF-HSZRJFAPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound